Geometry & MOs

Info

ID:	126324
PubChem CID:	50959705
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	374.174276
ΔH_f, kcal/mol:	-58.39
Dipole, Da:	4.72
IP(EA), eV:	-9.47(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopropylmethyl)-4-[4-(pyridin-2-ylmethoxy)phenyl]-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CCN(CC(=C)C)C(=O)C1CC(=O)N(C1)CC2=CC=CC=N2

DOS

IR

Vibrations